2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid

C15H19NO3 — CID 66360819

IUPAC2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
SMILESCc1ccc2c(c1)CC(CN(CC(=O)O)C1CC1)O2
InChIInChI=1S/C15H19NO3/c1-10-2-5-14-11(6-10)7-13(19-14)8-16(9-15(17)18)12-3-4-12/h2,5-6,12-13H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyDSOLCCRXBUEBDD-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.85
Rot. Bonds5

About 2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid

2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid (PubChem CID 66360819) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
PubChem CID66360819
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
SMILESCc1ccc2c(c1)CC(CN(CC(=O)O)C1CC1)O2
InChIInChI=1S/C15H19NO3/c1-10-2-5-14-11(6-10)7-13(19-14)8-16(9-15(17)18)12-3-4-12/h2,5-6,12-13H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyDSOLCCRXBUEBDD-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid (CID 66360819) is 2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid is Cc1ccc2c(c1)CC(CN(CC(=O)O)C1CC1)O2.
What is the InChIKey of 2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid?
The InChIKey is DSOLCCRXBUEBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-2-5-14-11(6-10)7-13(19-14)8-16(9-15(17)18)12-3-4-12/h2,5-6,12-13H,3-4,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid?
2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 66360819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).